6-bromododecane;3-bromothiophene

C16H28Br2S — CID 174619505

IUPAC6-bromododecane;3-bromothiophene
SMILESBrc1ccsc1.CCCCCCC(Br)CCCCC
InChIInChI=1S/C12H25Br.C4H3BrS/c1-3-5-7-9-11-12(13)10-8-6-4-2;5-4-1-2-6-3-4/h12H,3-11H2,1-2H3;1-3H
InChIKeyYKRMFTPWEGKTPF-UHFFFAOYSA-N
MW412.28 g/mol
LogP7.81
Rot. Bonds9

About 6-bromododecane;3-bromothiophene

6-bromododecane;3-bromothiophene (PubChem CID 174619505) has the molecular formula C16H28Br2S and a molecular weight of 412.28 g/mol. Its IUPAC name is 6-bromododecane;3-bromothiophene.

Molecular Properties

Compound Name6-bromododecane;3-bromothiophene
PubChem CID174619505
Molecular FormulaC16H28Br2S
Molecular Weight412.28 g/mol
Exact Mass410.03
IUPAC Name6-bromododecane;3-bromothiophene
SMILESBrc1ccsc1.CCCCCCC(Br)CCCCC
InChIInChI=1S/C12H25Br.C4H3BrS/c1-3-5-7-9-11-12(13)10-8-6-4-2;5-4-1-2-6-3-4/h12H,3-11H2,1-2H3;1-3H
InChIKeyYKRMFTPWEGKTPF-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-thiophen-3-yltetradecan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 6-bromododecane;3-bromothiophene?
The IUPAC name of 6-bromododecane;3-bromothiophene (CID 174619505) is 6-bromododecane;3-bromothiophene.
What is the SMILES notation for 6-bromododecane;3-bromothiophene?
The canonical SMILES for 6-bromododecane;3-bromothiophene is Brc1ccsc1.CCCCCCC(Br)CCCCC.
What is the InChIKey of 6-bromododecane;3-bromothiophene?
The InChIKey is YKRMFTPWEGKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br.C4H3BrS/c1-3-5-7-9-11-12(13)10-8-6-4-2;5-4-1-2-6-3-4/h12H,3-11H2,1-2H3;1-3H.
What are the key properties of 6-bromododecane;3-bromothiophene?
6-bromododecane;3-bromothiophene has a molecular weight of 412.28 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromododecane;3-bromothiophene is sourced from PubChem (CID 174619505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).